Related papers: Closure to the PRISM equation derived from nonline…
The analytical solution of the recently proposed ideal chain polymer mean-spherical approximation (Yu.Kalyuzhnyi, Mol.Phys., 94, 735(1998)) is presented for the multicomponent mixture of charged hard-sphere linear chain flexible molecules.…
We successfully extend a multiscale simulation (MSS) method to nonisothermal well-entangled polymer melt flows between two coaxial cylinders. In the multiscale simulation, the macroscopic flow system is connected to a number of microscopic…
We derive a retained-spin micropolar hydrodynamic closure from the Boltzmann--Curtiss equation using a generalized Chapman--Enskog construction in which the local mean spin is retained as a quasi-slow variable. Starting from the…
The non-linear Poisson-Boltzmann equation for a circular, uniformly charged platelet, confined together with co- and counter-ions to a cylindrical cell, is solved semi-analytically by transforming it into an integral equation and solving…
Theoretical aspects of polymers in mixed solvents are considered using the Edwards Hamiltonian formalism. Thermodynamic and structural properties are investigated and some predictions are made when the mixed solvent approaches criticality.…
The phase field theory of crystal nucleation described in [L. Granasy, T. Borzsonyi, T. Pusztai, Phys. Rev. Lett. 88, 206105 (2002)] is applied for nucleation in hard--sphere liquids. The exact thermodynamics from molecular dynamics is…
We investigate abilities of various linear response based techniques for extracting parameters of antisymmetric Dzyaloshinskii-Moriya (DM) interactions from the first-principles electronic structure calculations. For these purposes, we…
Many molecular theories of nematic liquid crystals consider the constituent molecules as cylindrically symmetric. In many cases, this approximation may be useful. However the molecules of real nematics have lower symmetry. Therefore a…
In this paper, explicit method of constructing approximations (the Triangle Entropy Method) is developed for nonequilibrium problems. This method enables one to treat any complicated nonlinear functionals that fit best the physics of a…
We present a theory to predict the structure and thermodynamics of mixtures of colloids of different diameters, building on our earlier work [J. Chem. Phys. 145, 074904 (2016)] that considered mixtures with all particles constrained to have…
We consider the Bayesian nonparametric estimation of a nonlinear reaction function in a reaction-diffusion stochastic partial differential equation (SPDE). The likelihood is well-defined and tractable by the infinite-dimensional Girsanov…
We use a macroscopic description of a system of relativistic particles based on adding a nonequilibrium tensor to the usual hydrodynamic variables. The nonequilibrium tensor is linked to relativistic kinetic theory through a nonlinear…
In this paper, we study a new micro-macro model for a reactive polymeric fluid, which is derived recently in [Y. Wang, T.-F. Zhang, and C. Liu, \emph{J. Non-Newton. Fluid Mech.} 293 (2021), 104559, 13 pp], by using the energetic variational…
The objective of this work is to determine the nonlinear flux-force relations for systems out of Onsager's region that respect the existing thermodynamic theorems for systems far from equilibrium. To this aim, a thermodynamic theory for…
We explore semi-dilute and concentrated oligomers and polymers in a broad range of polymerization indices N ranging from 1 to a 100 and in a range of monomer number densities $\phi$ from 0.1 to 0.8 via molecular dynamics simulations and…
Evaluating accessible conformational space is computationally expensive and thermal motions are partly neglected in computer models of molecular interactions. This produces error into the estimates of binding strength. We introduce a method…
In this paper, we study the non-linear diffusion equation associated with a particle system where the common drift depends on the rate of absorption of particles at a boundary. We provide an interpretation as a structural credit risk model…
We develop a simple yet comprehensive nonlinear model to describe relaxation phenomena in amorphous glass-formers near the glass transition temperature. The model is based on the two-state, two-(time)scale (TS2) framework, and describes the…
We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…
In this work we show how nonlinear point-coupling models, described by a Lagrangian density that presents only terms up to fourth order in the fermion condensate $(\bar{\psi}\psi)$, are derived from a modified meson-exchange nonlinear…